Theoretical study on the gas-phase mechanism of the reaction of N2O with CO circularly catalyzed by Ir+

Acta Chimica Sinica

Volumn 66, Issue 24, 2008, Pages 2669-2674

  Wang, Yong Cheng ^a   Zhang, Qing Li ^a   Geng, Zhi Yuan ^a   Li, Hui Zhen ^a   Wang, Qing Yun ^a   Si, Yu Bing ^a  

^a NORTHWEST NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory; Ir+ cyclic catalysis; Potential energy surface crossing point; Spin forbidden reaction

Indexed keywords

EID: 77549084266     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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